2-methyl-N-[2-methyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]pyrazole-3-carboxamide

C20H15F3N4OS — CID 137425267

IUPAC2-methyl-N-[2-methyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(-c2nc3ccc(C(F)(F)F)cc3s2)ccc1NC(=O)c1ccnn1C
InChIInChI=1S/C20H15F3N4OS/c1-11-9-12(3-5-14(11)25-18(28)16-7-8-24-27(16)2)19-26-15-6-4-13(20(21,22)23)10-17(15)29-19/h3-10H,1-2H3,(H,25,28)
InChIKeySXSZVIJAKJMIPD-UHFFFAOYSA-N
MW416.43 g/mol
LogP5.28
Rot. Bonds3

About 2-methyl-N-[2-methyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]pyrazole-3-carboxamide

2-methyl-N-[2-methyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]pyrazole-3-carboxamide (PubChem CID 137425267) has the molecular formula C20H15F3N4OS and a molecular weight of 416.43 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]pyrazole-3-carboxamide
PubChem CID137425267
Molecular FormulaC20H15F3N4OS
Molecular Weight416.43 g/mol
Exact Mass416.09
IUPAC Name2-methyl-N-[2-methyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(-c2nc3ccc(C(F)(F)F)cc3s2)ccc1NC(=O)c1ccnn1C
InChIInChI=1S/C20H15F3N4OS/c1-11-9-12(3-5-14(11)25-18(28)16-7-8-24-27(16)2)19-26-15-6-4-13(20(21,22)23)10-17(15)29-19/h3-10H,1-2H3,(H,25,28)
InChIKeySXSZVIJAKJMIPD-UHFFFAOYSA-N
XLogP5.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.43
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide
CID 137425538
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide
CID 17100714
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
CID 25284529
2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide
CID 137425143
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 99819963
N-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 137425355
N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 19475661
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide
CID 46785977
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide
CID 46502801
2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide
CID 137498224
N-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 58919756
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,6-dimethoxybenzamide
CID 46502802

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-methyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]pyrazole-3-carboxamide (CID 137425267) is 2-methyl-N-[2-methyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-methyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]pyrazole-3-carboxamide is Cc1cc(-c2nc3ccc(C(F)(F)F)cc3s2)ccc1NC(=O)c1ccnn1C.
What is the InChIKey of 2-methyl-N-[2-methyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]pyrazole-3-carboxamide?
The InChIKey is SXSZVIJAKJMIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4OS/c1-11-9-12(3-5-14(11)25-18(28)16-7-8-24-27(16)2)19-26-15-6-4-13(20(21,22)23)10-17(15)29-19/h3-10H,1-2H3,(H,25,28).
What are the key properties of 2-methyl-N-[2-methyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]pyrazole-3-carboxamide?
2-methyl-N-[2-methyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]pyrazole-3-carboxamide has a molecular weight of 416.43 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 137425267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).